Mol:LBF16000PG01


Copyright: ARM project http://www.metabolome.jp/ 23 23 0 0 0 0 0 0 0 0999 V2000

  -1.1505    0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8650    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6368    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6368   -0.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4241   -0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9105   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4241    0.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8051   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0906   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3763   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3382   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0526   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7671   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4816   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1960   -0.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6792   -1.4823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6791    1.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4360    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2784    0.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4361    1.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3764   -1.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9105   -0.9419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1960    0.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  6 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
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 4  8  1  1 
 8  9  1  0 
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10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
 5 16  1  6 
 7 17  2  0 
 1 18  1  0 
18 19  1  0 
18 20  2  0 
10 21  2  0 
15 22  1  0 
15 23  2  0 

S SKP 6 ID LBF16000PG01 FORMULA C16H24O7 EXACTMASS 328.152203122 AVERAGEMASS 328.35756000000003 SMILES OC(=O)CCCCC(=O)CC[C@@H]([C@H](O)1)[C@@H](CCC(O)=O)C(=O)C1 AUTODRAW FALSE M END